Molecule ID: mol37611

SMILES: C[C@@]12C[C@@H](C(=O)O)OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@H]2CCC1(O)C(=O)O2

InChI: InChI=1S/C17H22O7/c1-15-7-10(12(18)19)23-13(20)8(15)3-5-16(2)11(15)9-4-6-17(16,22)14(21)24-9/h8-11,22H,3-7H2,1-2H3,(H,18,19)/t8-,9+,10-,11-,15+,16+,17?/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.50 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization